2,3,3-trimethyl-3H-pyrrolo[3,2-h]quinoline

• ChemBase ID: 185848
• Molecular Formular: C14H14N2
• Molecular Mass: 210.27436
• Monoisotopic Mass: 210.11569846
• SMILES: N1=C(C(c2c1c1ncccc1cc2)(C)C)C
• Canonical SMILES: CC1=Nc2c(C1(C)C)ccc1c2nccc1
• InChI: InChI=1S/C14H14N2/c1-9-14(2,3)11-7-6-10-5-4-8-15-12(10)13(11)16-9/h4-8H,1-3H3
• InChIKey: UHZKYCUGAAGKSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3-trimethyl-3H-pyrrolo[3,2-h]quinoline
• IUPAC Traditional name: 2,3,3-trimethylpyrrolo[3,2-h]quinoline

Database IDs

• PubChem SID: 164241758
• PubChem CID: 670430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3781173
• LogD (pH = 7.4): 3.3856902
• Log P: 3.3857877
• Molar Refractivity: 66.6011 cm^3
• Polarizability: 26.221382 Å^3
• Polar Surface Area: 25.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds